SCHEMBL4723706

SCHEMBL4723706

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.37
F2 P00734 1/20 0.37
P2RX7 Q99572 1/20 0.36
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
HSD11B1 P28845 3/20 0.33
SOS1 Q07889 2/20 0.33
ABL1 P00519 1/20 0.33
PDE7A Q13946 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4723714 1.00 F10 (0.37) F10F2P2RX7PDE3BPDE3A
SCHEMBL4722405 0.95 P2RX7 (0.37) F10F2P2RX7PDE3BPDE3A
SCHEMBL4722397 0.95 P2RX7 (0.37) F10F2P2RX7PDE3BPDE3A
SCHEMBL4724264 0.91 F10 (0.37) F10F2P2RX7PDE3BPDE3A
SCHEMBL4721627 0.91 P2RX7 (0.36) F10F2P2RX7PDE3BPDE3A
SCHEMBL4724268 0.91 F10 (0.37) F10F2P2RX7PDE3BPDE3A
SCHEMBL4766330 0.91 P2RX7 (0.36) F10F2P2RX7PDE3BPDE3A
SCHEMBL4721632 0.91 P2RX7 (0.36) F10F2P2RX7PDE3BPDE3A
SCHEMBL4720618 0.91 F10 (0.36) F10F2P2RX7
SCHEMBL4720620 0.91 F10 (0.36) F10F2P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed